3-ethyl-1-(prop-2-ynylamino)pentan-2-one

C10H17NO — CID 116589606

IUPAC3-ethyl-1-(prop-2-ynylamino)pentan-2-one
SMILESC#CCNCC(=O)C(CC)CC
InChIInChI=1S/C10H17NO/c1-4-7-11-8-10(12)9(5-2)6-3/h1,9,11H,5-8H2,2-3H3
InChIKeyFQUZWVDNQWIREY-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.21
Rot. Bonds6

About 3-ethyl-1-(prop-2-ynylamino)pentan-2-one

3-ethyl-1-(prop-2-ynylamino)pentan-2-one (PubChem CID 116589606) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-ethyl-1-(prop-2-ynylamino)pentan-2-one.

Molecular Properties

Compound Name3-ethyl-1-(prop-2-ynylamino)pentan-2-one
PubChem CID116589606
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-ethyl-1-(prop-2-ynylamino)pentan-2-one
SMILESC#CCNCC(=O)C(CC)CC
InChIInChI=1S/C10H17NO/c1-4-7-11-8-10(12)9(5-2)6-3/h1,9,11H,5-8H2,2-3H3
InChIKeyFQUZWVDNQWIREY-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-(ethylamino)pentan-2-one
CID 116562665
2-[[[2-(prop-2-ynylamino)acetyl]amino]methyl]butanoic acid
CID 79270508
2-(prop-2-ynylamino)acetic acid
CID 88693817
2-(prop-2-ynylamino)acetic acid;hydrochloride
CID 88630833
1-(prop-2-ynylamino)pent-4-yn-2-one
CID 116589319
(2R)-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
CID 79272201
3-ethyl-1-(propan-2-ylamino)pentan-2-one
CID 116554985
3,3-dimethyl-1-(prop-2-ynylamino)butan-2-one
CID 116589515
4-methylidene-1-(prop-2-ynylamino)hexan-2-one
CID 116589640
N,N-dipropyl-2-(prop-2-ynylamino)acetamide
CID 112722308
1-(prop-2-ynylamino)undecan-2-one
CID 116589334
1-(prop-2-ynylamino)butan-2-ol
CID 60885196

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(prop-2-ynylamino)pentan-2-one?
The IUPAC name of 3-ethyl-1-(prop-2-ynylamino)pentan-2-one (CID 116589606) is 3-ethyl-1-(prop-2-ynylamino)pentan-2-one.
What is the SMILES notation for 3-ethyl-1-(prop-2-ynylamino)pentan-2-one?
The canonical SMILES for 3-ethyl-1-(prop-2-ynylamino)pentan-2-one is C#CCNCC(=O)C(CC)CC.
What is the InChIKey of 3-ethyl-1-(prop-2-ynylamino)pentan-2-one?
The InChIKey is FQUZWVDNQWIREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-7-11-8-10(12)9(5-2)6-3/h1,9,11H,5-8H2,2-3H3.
What are the key properties of 3-ethyl-1-(prop-2-ynylamino)pentan-2-one?
3-ethyl-1-(prop-2-ynylamino)pentan-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(prop-2-ynylamino)pentan-2-one is sourced from PubChem (CID 116589606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).